5-chloro-2-iodo-4-methylaniline

5-chloro-2-iodo-4-methylaniline

CAS: 755031-80-2

Formula: C7H7ClIN

SMILES: CC1=CC(I)=C(N)C=C1Cl

IUPAC: 5-chloro-2-iodo-4-methylaniline

InChI: InChI=1S/C7H7ClIN/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,10H2,1H3

Composition: C (31.43%), H (2.64%), Cl (13.25%), I (47.44%), N (5.24%)

Molar Mass: 267.49

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	266.93117
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WTQMSECCZZCDHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.97
Topological Polar Surface Area	26.02
Polarizability	20.34
Ring Count	1
Rotatable Bond Count	0

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